Carbamic acid, 2-propynyl-, beta-(hydroxymethyl)-beta-methylphenethyl ester, carbamate (ester)

HCID 212923

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Basic information

CAS: 25385-14-2
Standard SMILES: C#CCNC(=O)OCC(C)(COC(N)=O)c1ccccc1
InChIKey: NYQOOJAHHHPSQW-UHFFFAOYSA-N
Molecular formula: C15H18N2O4
Average molar mass: 290.31 g/mol
Monoisotopic mass: 290.12665706

Names & identifiers

Preferred name: Carbamic acid, 2-propynyl-, beta-(hydroxymethyl)-beta-methylphenethyl ester, carbamate (ester)
IUPAC: (3-carbamoyloxy-2-methyl-2-phenylpropyl) N-prop-2-ynylcarbamate

Names & synonyms

Carbamic acid, 2-propynyl-, beta-(hydroxymethyl)-beta-methylphenethyl ester, carbamate (ester)25385-14-2RefChem:1080858BRN 30644102-Propynylcarbamic acid beta-(hydroxymethyl)-beta-methylphenethyl ester carbamate (ester)

Database identifiers

CAS: 25385-14-2
PubChem CID: 212923

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 90.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 8
Heavy atoms: 21
Formal charge: 0
Complexity: 409

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